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Tue, 12 Jul 2022 04:10:12 GMT (envelope-from git) Date: Tue, 12 Jul 2022 04:10:12 GMT Message-Id: <202207120410.26C4ACbH074792@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: 1ce0df780cf2 - main - science/cp2k: Update 9.1.0 -> 2022.1 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: Sender: owner-dev-commits-ports-all@freebsd.org X-BeenThere: dev-commits-ports-all@freebsd.org 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: 1ce0df780cf29c2473f038e587af3d647806f984 Auto-Submitted: auto-generated ARC-Message-Signature: i=1; a=rsa-sha256; c=relaxed/relaxed; d=freebsd.org; s=dkim; t=1657599013; 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mx1.freebsd.org; none X-ThisMailContainsUnwantedMimeParts: N The branch main has been updated by yuri: URL: https://cgit.FreeBSD.org/ports/commit/?id=1ce0df780cf29c2473f038e587af3d647806f984 commit 1ce0df780cf29c2473f038e587af3d647806f984 Author: Yuri Victorovich AuthorDate: 2022-07-12 04:09:36 +0000 Commit: Yuri Victorovich CommitDate: 2022-07-12 04:10:08 +0000 science/cp2k: Update 9.1.0 -> 2022.1 --- science/cp2k/Makefile | 11 +++++++---- science/cp2k/distinfo | 10 +++++----- science/cp2k/files/patch-Makefile | 24 ++++++++++++------------ 3 files changed, 24 insertions(+), 21 deletions(-) diff --git a/science/cp2k/Makefile b/science/cp2k/Makefile index 2ab7472836f2..e3ae9b25e992 100644 --- a/science/cp2k/Makefile +++ b/science/cp2k/Makefile @@ -1,6 +1,6 @@ PORTNAME= cp2k DISTVERSIONPREFIX= v -DISTVERSION= 9.1.0 +DISTVERSION= 2022.1 CATEGORIES= science MAINTAINER= yuri@FreeBSD.org @@ -19,7 +19,7 @@ TEST_DEPENDS= bash:shells/bash USES= fortran gmake localbase:ldflags python:build shebangfix tar:bz2 USE_GITHUB= yes -GH_TUPLE= cp2k:dbcsr:f4df17b:cp2k_dbcsr/exts/dbcsr \ +GH_TUPLE= cp2k:dbcsr:c134996:cp2k_dbcsr/exts/dbcsr \ pseewald:fprettify:71781aa:pseewald_fprettify/tools/prettify/fprettify SHEBANG_FILES= tools/regtesting/do_regtest @@ -88,7 +88,7 @@ pre-configure: post-patch: @${REINPLACE_CMD} -i '' 's|LIBS.*=.*|& ${LDFLAGS}|; s|^FCFLAGS.*=.*|& -I${LOCALBASE}/include|; s| -march=native||' ${WRKSRC}/arch/FreeBSD-* -pre-build: +xpre-build: @${ECHO} ${PORTVERSION} > ${WRKSRC}/REVISION do-install: @@ -101,8 +101,9 @@ do-install-SERIAL-on: cd ${STAGEDIR}${PREFIX}/bin && ${LN} -s ${e}.${EFFECTIVE_VERSION} ${e}.${VERSION} .endfor -do-test: # fails to run: some Linux-only commands are present +do-test: # fails to run: some Linux-only commands are present, also /usr/local/bin/ar: invalid option -- / @cd ${WRKSRC} && \ + ${TOUCH} arch/local.${EFFECTIVE_VERSION} && \ ${SETENV} ${MAKE_ENV} ./tools/regtesting/do_regtest -maxtasks 8 .include @@ -111,4 +112,6 @@ do-test: # fails to run: some Linux-only commands are present FCFLAGS+= -fallow-argument-mismatch . endif +# build instructions: https://github.com/cp2k/cp2k/blob/master/INSTALL.md + .include diff --git a/science/cp2k/distinfo b/science/cp2k/distinfo index 7a156377fd8e..0f6ba7195369 100644 --- a/science/cp2k/distinfo +++ b/science/cp2k/distinfo @@ -1,7 +1,7 @@ -TIMESTAMP = 1653344192 -SHA256 (cp2k-cp2k-v9.1.0_GH0.tar.gz) = e0cd859e506435a38454eeaaa3bc2c1656ffd5d22698062957c84f8b4f426126 -SIZE (cp2k-cp2k-v9.1.0_GH0.tar.gz) = 76638939 -SHA256 (cp2k-dbcsr-f4df17b_GH0.tar.gz) = 997d143729028cb43c165c7bab85159a2ab485e9b9f2076129156c69eb67d82d -SIZE (cp2k-dbcsr-f4df17b_GH0.tar.gz) = 2663121 +TIMESTAMP = 1657410607 +SHA256 (cp2k-cp2k-v2022.1_GH0.tar.gz) = 10c0e31bc67bd4871c61047c5f990eb6dac44c6237c3a0b75047a99207021986 +SIZE (cp2k-cp2k-v2022.1_GH0.tar.gz) = 76905358 +SHA256 (cp2k-dbcsr-c134996_GH0.tar.gz) = bfaed28798ce3d0312d857d09a79911fd3db0b5c8ae0a02d0f210de129d53686 +SIZE (cp2k-dbcsr-c134996_GH0.tar.gz) = 2681082 SHA256 (pseewald-fprettify-71781aa_GH0.tar.gz) = 4115e800c24cc66da569245bee97ea4db18833c8a63d97769c866d2384cbbfb5 SIZE (pseewald-fprettify-71781aa_GH0.tar.gz) = 155272 diff --git a/science/cp2k/files/patch-Makefile b/science/cp2k/files/patch-Makefile index 056ff23a727e..ca2931463fe2 100644 --- a/science/cp2k/files/patch-Makefile +++ b/science/cp2k/files/patch-Makefile @@ -1,4 +1,4 @@ ---- Makefile.orig 2021-12-31 09:29:59 UTC +--- Makefile.orig 2022-07-08 20:23:24 UTC +++ Makefile @@ -11,7 +11,7 @@ CP2KHOME := $(abspath $(shell pwd)) export CP2KHOME @@ -35,10 +35,10 @@ OBJEXTSINCL := $(foreach dir,$(EXTSPACKAGES),-I'$(OBJEXTSDIR)/$(dir)') -TSTDIR := $(MAINTSTDIR)/$(ARCH)/$(ONEVERSION) +TSTDIR := $(MAINTSTDIR)/$(XARCH)/$(ONEVERSION) - ifeq ($(OFFLOAD_CC),) - EXE_NAMES := $(basename $(notdir $(filter-out %.cu, $(ALL_EXE_FILES)))) - endif -@@ -159,7 +159,7 @@ all: makedep | dirs exts + ifneq ($(LD_SHARED),) + ARCHIVE_EXT := .so + else +@@ -144,7 +144,7 @@ all: makedep | dirs exts # compilation for testing happens here test: dirs makedep all @@ -47,7 +47,7 @@ @+$(MAKE) --no-print-directory -C $(TSTDIR) -f $(MAKEFILE) test INCLUDE_DEPS=true testbg: dirs makedep all -@@ -263,11 +263,11 @@ $(EXEDIR)/cp2k_shell.$(ONEVERSION): $(EXEDIR)/cp2k.$(O +@@ -250,11 +250,11 @@ $(EXEDIR)/cp2k_shell.$(ONEVERSION): $(EXEDIR)/cp2k.$(O cd $(EXEDIR); ln -sf cp2k.$(ONEVERSION) cp2k_shell.$(ONEVERSION) test: @@ -61,7 +61,7 @@ @grep -e "Summary:" -e "Status:" $(TSTDIR)/regtest.log endif -@@ -320,9 +320,9 @@ define get_extensions +@@ -307,9 +307,9 @@ define get_extensions $(shell test -d $(1) && find $(1) -type f -name "*.*" ! -name "*.gcda" | sed 's|.*\.||' | sort -u) endef clean: @@ -74,7 +74,7 @@ OTHER_HELP += "clean : Remove intermediate object and mod files, but not the libraries and executables, for given ARCH and VERSION" # The Intel compiler creates a corresponding .dbg file for each executable when static linking of the Intel MPI library is requested (flag -static_mpi) -@@ -336,16 +336,16 @@ OTHER_HELP += "execlean : Remove the executables, for +@@ -323,16 +323,16 @@ OTHER_HELP += "execlean : Remove the executables, for # Use this if you want to fully rebuild an executable (for a given compiler and or VERSION) # realclean: extclean clean execlean @@ -95,12 +95,12 @@ OTHER_HELP += "testrealclean : Remove all LAST-* and TEST-* files for given ARCH and VERSION" # -@@ -515,7 +515,7 @@ FORCE: ; +@@ -499,7 +499,7 @@ FORCE: ; cp2k_info.o: $(GIT_REF) # Add some practical metadata about the build. -FCFLAGS += -D__COMPILE_ARCH="\"$(ARCH)\""\ +FCFLAGS += -D__COMPILE_ARCH="\"$(XARCH)\""\ - -D__COMPILE_DATE="\"$(shell date)\""\ - -D__COMPILE_HOST="\"$(shell hostname 2>/dev/null || hostnamectl --transient)\""\ - -D__COMPILE_REVISION="\"$(strip $(REVISION))\""\ + -D__COMPILE_DATE="\"$(shell date)\""\ + -D__COMPILE_HOST="\"$(shell hostname 2>/dev/null || hostnamectl --transient)\""\ + -D__COMPILE_REVISION="\"$(strip $(REVISION))\""\