git: e93e2de8ba1c - main - science/py-chempy: Correct and add dependencies

The branch main has been updated by yuri:

URL: https://cgit.FreeBSD.org/ports/commit/?id=e93e2de8ba1ca3245108e7be62c1dc97ec31bfd1

commit e93e2de8ba1ca3245108e7be62c1dc97ec31bfd1
Author:     Yuri Victorovich <yuri@FreeBSD.org>
AuthorDate: 2022-10-23 06:19:54 +0000
Commit:     Yuri Victorovich <yuri@FreeBSD.org>
CommitDate: 2022-10-23 07:52:32 +0000

    science/py-chempy: Correct and add dependencies
---
 science/py-chempy/Makefile | 37 ++++++++++++++++---------------------
 1 file changed, 16 insertions(+), 21 deletions(-)

diff --git a/science/py-chempy/Makefile b/science/py-chempy/Makefile
index 3974b69fbb29..a31810ade744 100644
--- a/science/py-chempy/Makefile
+++ b/science/py-chempy/Makefile
@@ -1,6 +1,7 @@
 PORTNAME=	chempy
 DISTVERSION=	0.8.2
-CATEGORIES=	science python
+PORTREVISION=	1
+CATEGORIES=	science python # chemistry
 MASTER_SITES=	CHEESESHOP
 PKGNAMEPREFIX=	${PYTHON_PKGNAMEPREFIX}
 
@@ -11,9 +12,9 @@ WWW=		https://github.com/bjodah/chempy
 LICENSE=	BSD3CLAUSE
 LICENSE_FILE=	${WRKSRC}/LICENSE
 
-PY_DEPENDS=	\
-		${PYTHON_PKGNAMEPREFIX}dot2tex>=2.11.3:print/dot2tex@${PY_FLAVOR} \
+PY_DEPENDS=	${PYTHON_PKGNAMEPREFIX}dot2tex>=2.11.3:print/dot2tex@${PY_FLAVOR} \
 		${PYTHON_PKGNAMEPREFIX}matplotlib>=2.2.3:math/py-matplotlib@${PY_FLAVOR} \
+		${PYNUMPY} \
 		${PYTHON_PKGNAMEPREFIX}PuLP>=1.6.8:math/py-PuLP@${PY_FLAVOR} \
 		${PYTHON_PKGNAMEPREFIX}pyneqsys>=0.5.5:math/py-pyneqsys@${PY_FLAVOR} \
 		${PYTHON_PKGNAMEPREFIX}pyodesys>=0.14.1:math/py-pyodesys@${PY_FLAVOR} \
@@ -21,26 +22,18 @@ PY_DEPENDS=	\
 		${PYTHON_PKGNAMEPREFIX}quantities>=0.12.1:science/py-quantities@${PY_FLAVOR} \
 		${PYTHON_PKGNAMEPREFIX}scipy>=1.0.1:science/py-scipy@${PY_FLAVOR} \
 		${PYTHON_PKGNAMEPREFIX}sym>=0.3.4:math/py-sym@${PY_FLAVOR} \
-		${PYTHON_PKGNAMEPREFIX}sympy>=1.1.1:math/py-sympy@${PY_FLAVOR} \
-		${PYNUMPY}
+		${PYTHON_PKGNAMEPREFIX}sympy>=1.1.1:math/py-sympy@${PY_FLAVOR}
 BUILD_DEPENDS=	${PY_DEPENDS}
 RUN_DEPENDS=	${PY_DEPENDS}
-TEST_DEPENDS=	${PYTHON_PKGNAMEPREFIX}pytest-cov>0:devel/py-pytest-cov@${PY_FLAVOR} \
+TEST_DEPENDS=	${PYTHON_PKGNAMEPREFIX}black>0:devel/py-black@${PY_FLAVOR} \
+		${PYTHON_PKGNAMEPREFIX}pytest-cov>0:devel/py-pytest-cov@${PY_FLAVOR} \
 		${PYTHON_PKGNAMEPREFIX}pytest-flakes>0:devel/py-pytest-flakes@${PY_FLAVOR}
 
-USES=		python:3.7+ pytest
-USE_PYTHON=	distutils autoplist
+USES=		python:3.8+
+USE_PYTHON=	distutils autoplist pytest
 
 NO_ARCH=	yes
 
-# https://github.com/bjodah/chempy/issues/198
-PYTEST_BROKEN_TESTS=	test_get_native__a_substance_no_composition \
-			test_balance_stoichiometry__underdetermined \
-			test_balance_stoichiometry__very_underdetermined \
-			test_balance_stoichiometry__underdetermined__canoncial \
-			test_balance_stoichiometry__substances__underdetermined \
-			test_balance_stoichiometry__duplicates
-
 CONFLICTS_INSTALL=	${PYTHON_PKGNAMEPREFIX}pymol # https://github.com/schrodinger/pymol-open-source/issues/100
 
 OPTIONS_DEFINE=		EXTRAS
@@ -48,10 +41,12 @@ OPTIONS_DEFAULT=	EXTRAS
 
 EXTRAS_DESC=		Install optional dependencies for additional functionality
 EXTRAS_RUN_DEPENDS=	${PYTHON_PKGNAMEPREFIX}appdirs>0:devel/py-appdirs@${PY_FLAVOR} \
-			${PYTHON_PKGNAMEPREFIX}bokeh>=0.11.1:www/py-bokeh@${PY_FLAVOR} \
-			${PYTHON_PKGNAMEPREFIX}pycodeexport>=0.1.2:devel/py-pycodeexport@${PY_FLAVOR} \
-			${PYTHON_PKGNAMEPREFIX}pycompilation>=0.4.3:devel/py-pycompilation@${PY_FLAVOR} \
-			${PYTHON_PKGNAMEPREFIX}pygslodeiv2>=0.9.1:math/py-pygslodeiv2@${PY_FLAVOR} \
-			${PYTHON_PKGNAMEPREFIX}pyodeint>=0.10.1:math/py-pyodeint@${PY_FLAVOR}
+			${PYTHON_PKGNAMEPREFIX}bokeh>=0.13.0:www/py-bokeh@${PY_FLAVOR} \
+			${PYTHON_PKGNAMEPREFIX}ipywidgets>0:devel/py-ipywidgets@${PY_FLAVOR} \
+			${PYTHON_PKGNAMEPREFIX}pycodeexport>=0.1.3:devel/py-pycodeexport@${PY_FLAVOR} \
+			${PYTHON_PKGNAMEPREFIX}pycompilation>=0.4.12:devel/py-pycompilation@${PY_FLAVOR} \
+			${PYTHON_PKGNAMEPREFIX}pygslodeiv2>=0.9.4:math/py-pygslodeiv2@${PY_FLAVOR} \
+			${PYTHON_PKGNAMEPREFIX}pyodeint>=0.10.4:math/py-pyodeint@${PY_FLAVOR}
+			# TODO pycvodes>=0.14.0, pykinsol>=0.1.6
 
 .include <bsd.port.mk>