From nobody Sat Jan 25 05:50:46 2025 X-Original-To: dev-commits-ports-all@mlmmj.nyi.freebsd.org Received: from mx1.freebsd.org (mx1.freebsd.org [IPv6:2610:1c1:1:606c::19:1]) by mlmmj.nyi.freebsd.org (Postfix) with ESMTP id 4Yg3gq6NPNz5m2mL; Sat, 25 Jan 2025 05:50:47 +0000 (UTC) (envelope-from git@FreeBSD.org) Received: from mxrelay.nyi.freebsd.org (mxrelay.nyi.freebsd.org [IPv6:2610:1c1:1:606c::19:3]) (using TLSv1.3 with cipher TLS_AES_256_GCM_SHA384 (256/256 bits) key-exchange X25519 server-signature RSA-PSS (4096 bits) server-digest SHA256 client-signature RSA-PSS (4096 bits) client-digest SHA256) (Client CN "mxrelay.nyi.freebsd.org", Issuer "R11" (verified OK)) by mx1.freebsd.org (Postfix) with ESMTPS id 4Yg3gq0HrLz3gbD; Sat, 25 Jan 2025 05:50:47 +0000 (UTC) (envelope-from git@FreeBSD.org) DKIM-Signature: v=1; a=rsa-sha256; c=relaxed/relaxed; d=freebsd.org; s=dkim; t=1737784247; h=from:from:reply-to:subject:subject:date:date:message-id:message-id: to:to:cc; bh=dxZM3fFCja5CHaDuTXLzeYRNsuznPzjiqLJdKARB8Cw=; b=ygXg28xGVm4TKC9Il24fy9jlyzHxk9mYUf4UXX1shlXuPCl36BjQiu95/82d+z0FwdyCAG AdXQDuph6VDSqfE3LgeK9e30AlcVWW++GeWcIzyeG6NlfgZYIdpYwp/Ugrntz6betR7QQS ZGFvwLl3l8knwVxEeCHqxNsyRHoHGMHOpBn2Tb4IohZ3H7rV5iQpvLyOJtxcSy6gTSQ1Yf MyHvl9yefm3+oB2SuRqGe3ySmU/AFljo0bbYGhzHTPcN4OJxHPq3KvCRRWP8h9PlH1MDXl FlNaGZ6BxTHpwqGjfCQEz8CC97CGAHn4YwcK1oaxURIkflZO+YkZBxAD0kKKFw== ARC-Message-Signature: i=1; a=rsa-sha256; c=relaxed/relaxed; d=freebsd.org; s=dkim; t=1737784247; h=from:from:reply-to:subject:subject:date:date:message-id:message-id: to:to:cc; bh=dxZM3fFCja5CHaDuTXLzeYRNsuznPzjiqLJdKARB8Cw=; b=yyKOhosliaAFmCxgtiYP3/pABxRlPtWuXeC+63+B+afwSs7TBORHiot3xVYqKUOZ0bvrzm R0J5bfoKuZCgXEgoW/J4VKSexRkKGqc1g1nVE7cEO3eJsTfw6vT0RCUOGqyPhV2rgjkOzX EENUYD48NBSVQ5ks1lyN9XCEzRWzJoomZkCGrGhVrmnhA7t8E1ie3EplEtD2VZ8Cx5NRrd od/QLmyo1AZUCN02nlt+TqDAKTxzOoRa49GfcTGoW7nwj0SMR0AylF5KxYVspq5eb9CUrb bWqurpvX8Vz5NiErWju375oMU2sQGhTcu6afzKzwkt6WIyD1fmln993iJ/ebzw== ARC-Seal: i=1; s=dkim; d=freebsd.org; t=1737784247; a=rsa-sha256; cv=none; b=mHmL2Cj7SOYeSE35SIwcahZIte9Fxx5ZiaWZmlxTEHRyvggHpknX706t0rsJcwBk/OHnSV 7JuXBQ9IipmeQlXtkEZMvZT4UG+jAbr5w69a5NCaWGauBxeuK1HQMYXY6gquyzYvj6EOqV zoXTLezk4exvhfSjBtU0ctDZ/oj/fUSsYZMSgyGP8na49Tq3iVGdJqHH34OG317xzeaIG1 sHWL+4WRjI5pHwZAMjblIkFJX7BJM2GxxhRBUfsMISH9eZwV7JVLmHwkwEOswsHPcSY+n/ NZLrk/DeYI7crE5U2tmwpFfJQ69lYnkCYIUBkHlgmNgjKcxgRtxzbt1XejOu/w== ARC-Authentication-Results: i=1; mx1.freebsd.org; none Received: from gitrepo.freebsd.org (gitrepo.freebsd.org [IPv6:2610:1c1:1:6068::e6a:5]) (using TLSv1.3 with cipher TLS_AES_256_GCM_SHA384 (256/256 bits) key-exchange X25519 server-signature RSA-PSS (4096 bits) server-digest SHA256) (Client did not present a certificate) by mxrelay.nyi.freebsd.org (Postfix) with ESMTPS id 4Yg3gp6rKJz10Ks; Sat, 25 Jan 2025 05:50:46 +0000 (UTC) (envelope-from git@FreeBSD.org) Received: from gitrepo.freebsd.org ([127.0.1.44]) by gitrepo.freebsd.org (8.18.1/8.18.1) with ESMTP id 50P5oksn027291; Sat, 25 Jan 2025 05:50:46 GMT (envelope-from git@gitrepo.freebsd.org) Received: (from git@localhost) by gitrepo.freebsd.org (8.18.1/8.18.1/Submit) id 50P5okvj027288; Sat, 25 Jan 2025 05:50:46 GMT (envelope-from git) Date: Sat, 25 Jan 2025 05:50:46 GMT Message-Id: <202501250550.50P5okvj027288@gitrepo.freebsd.org> To: ports-committers@FreeBSD.org, dev-commits-ports-all@FreeBSD.org, dev-commits-ports-main@FreeBSD.org From: Yuri Victorovich Subject: git: fa054baa68fc - main - =?utf-8?Q?science/py-pymatgen: update 2025.1.23 =E2=86=92 2025.1.24; Add optional d= List-Id: Commit messages for all branches of the ports repository List-Archive: https://lists.freebsd.org/archives/dev-commits-ports-all List-Help: List-Post: List-Subscribe: List-Unsubscribe: X-BeenThere: dev-commits-ports-all@freebsd.org Sender: owner-dev-commits-ports-all@FreeBSD.org ependencies; Update test results?= MIME-Version: 1.0 Content-Type: text/plain; charset=utf-8 Content-Transfer-Encoding: 8bit X-Git-Committer: yuri X-Git-Repository: ports X-Git-Refname: refs/heads/main X-Git-Reftype: branch X-Git-Commit: fa054baa68fc953ae3bff4572b448d08f5f30390 Auto-Submitted: auto-generated The branch main has been updated by yuri: URL: https://cgit.FreeBSD.org/ports/commit/?id=fa054baa68fc953ae3bff4572b448d08f5f30390 commit fa054baa68fc953ae3bff4572b448d08f5f30390 Author: Yuri Victorovich AuthorDate: 2025-01-25 04:05:46 +0000 Commit: Yuri Victorovich CommitDate: 2025-01-25 05:50:41 +0000 science/py-pymatgen: update 2025.1.23 → 2025.1.24; Add optional dependencies; Update test results --- science/py-pymatgen/Makefile | 25 +++++++++++-------------- science/py-pymatgen/distinfo | 6 +++--- 2 files changed, 14 insertions(+), 17 deletions(-) diff --git a/science/py-pymatgen/Makefile b/science/py-pymatgen/Makefile index b17cdd97b6bc..5719a1d7cde1 100644 --- a/science/py-pymatgen/Makefile +++ b/science/py-pymatgen/Makefile @@ -1,6 +1,6 @@ PORTNAME= pymatgen DISTVERSIONPREFIX= v -DISTVERSION= 2025.1.23 +DISTVERSION= 2025.1.24 CATEGORIES= science python #MASTER_SITES= PYPI # no tests PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} @@ -33,6 +33,11 @@ RUN_DEPENDS= ${PYTHON_PKGNAMEPREFIX}beautifulsoup>0:www/py-beautifulsoup@${PY_FL ${PYTHON_PKGNAMEPREFIX}tabulate>=0.9:devel/py-tabulate@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}tqdm>=4.60:misc/py-tqdm@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}uncertainties>=3.1.4:math/py-uncertainties@${PY_FLAVOR} +RUN_DEPENDS+= ${PYTHON_PKGNAMEPREFIX}ase>0:science/py-ase@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}icet>0:science/py-icet@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}openbabel>0:science/py-openbabel@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}phonopy>0:science/py-phonopy@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}seekpath>0:science/py-seekpath@${PY_FLAVOR} # optional dependencies TEST_DEPENDS= ${PYTHON_PKGNAMEPREFIX}pybtex>0:textproc/py-pybtex@${PY_FLAVOR} USES= compiler:c++11-lang python @@ -53,19 +58,11 @@ post-install: # strip binaries optimization/neighbors*.so \ util/coord_cython*.so -#tests as of 2025.1.23: -# Results (4206.00s (1:10:05)): -# 2743 passed -# 9 failed -# - tests/analysis/test_chempot_diagram.py:71 TestChemicalPotentialDiagram.test_pca -# - tests/cli/test_pmg_analyze.py:13 test_pmg_analyze -# - tests/cli/test_pmg_diff.py:12 test_pmg_diff -# - tests/cli/test_pmg_plot.py:15 test_plot_xrd -# - tests/cli/test_pmg_plot.py:31 test_plot_dos -# - tests/cli/test_pmg_plot.py:47 test_plot_chgint -# - tests/cli/test_pmg_plot.py:63 test_plot_wrong_arg -# - tests/cli/test_pmg_structure.py:13 test_pmg_structure -# - tests/core/test_structure.py:1770 TestStructure.test_charge +# tests as of 2025.1.23: see https://github.com/materialsproject/pymatgen/issues/4264 +# Results (4376.26s (1:12:56)): +# 2814 passed +# 36 failed # 194 skipped +# 141 skipped .include diff --git a/science/py-pymatgen/distinfo b/science/py-pymatgen/distinfo index 8cf9be075657..d6168fc6f91b 100644 --- a/science/py-pymatgen/distinfo +++ b/science/py-pymatgen/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1737700626 -SHA256 (materialsproject-pymatgen-v2025.1.23_GH0.tar.gz) = 68eafa7d148119a3aa739fd514f9f9cecfb03b316e41f29d3f87a84bb4872670 -SIZE (materialsproject-pymatgen-v2025.1.23_GH0.tar.gz) = 262615770 +TIMESTAMP = 1737778469 +SHA256 (materialsproject-pymatgen-v2025.1.24_GH0.tar.gz) = 4b53c755e8359f2b6400eb7050a9aa2b1cadd611345cd9ab16ab25a5164fe804 +SIZE (materialsproject-pymatgen-v2025.1.24_GH0.tar.gz) = 263279211