diff --git a/rdkit-postgresql/Makefile.patch b/rdkit-postgresql/Makefile.patch index 6a1fb6d..8b4350c 100644 --- a/rdkit-postgresql/Makefile.patch +++ b/rdkit-postgresql/Makefile.patch @@ -1,8 +1,8 @@ -diff --git a/Code/PgSQL/rdkit/Makefile b/Code/PgSQL/rdkit/Makefile -index 73c1f1a..b6953eb 100644 ---- a/Code/PgSQL/rdkit/Makefile -+++ b/Code/PgSQL/rdkit/Makefile -@@ -11,28 +11,31 @@ +diff --git Code/PgSQL/rdkit/Makefile Code/PgSQL/rdkit/Makefile +index 7cce682..b6953eb 100644 +--- Code/PgSQL/rdkit/Makefile ++++ Code/PgSQL/rdkit/Makefile +@@ -11,25 +11,28 @@ # ------------------------- @@ -34,11 +34,7 @@ index 73c1f1a..b6953eb 100644 + THREADLIBS=-lboost_thread -lboost_system endif --RDKLIBS = ${AVALONLIBS} ${INCHILIBS} -lMolHash -lFMCS -lChemReactions -lChemTransforms -lFileParsers -lSmilesParse -lFingerprints -lSubgraphs -lDescriptors -lPartialCharges -lSubstructMatch -lGraphMol -lDataStructs -lDepictor -lRDGeometryLib -lRDGeneral -+RDKLIBS = ${AVALONLIBS} ${INCHILIBS} -lMolDraw2D -lMolTransforms -lMolHash -lFMCS -lChemReactions -lChemTransforms -lFileParsers -lSmilesParse -lFingerprints -lSubgraphs -lDescriptors -lPartialCharges -lSubstructMatch -lGraphMol -lEigenSolvers -lDataStructs -lDepictor -lRDGeometryLib -lRDGeneral - - ifeq ($(STATIC_LINK),0) - SHLIB_LINK += -L${RDKIT}/lib -Wl,-rpath,'${RDKIT}/lib' ${RDKLIBS} + RDKLIBS = ${AVALONLIBS} ${INCHILIBS} -lMolDraw2D -lMolTransforms -lMolHash -lFMCS -lChemReactions -lChemTransforms -lFileParsers -lSmilesParse -lFingerprints -lSubgraphs -lDescriptors -lPartialCharges -lSubstructMatch -lGraphMol -lEigenSolvers -lDataStructs -lDepictor -lRDGeometryLib -lRDGeneral @@ -40,14 +43,11 @@ else SHLIB_LINK += -L${RDKIT}/lib $(addsuffix _static,${RDKLIBS}) endif diff --git a/rdkit-postgresql/meta.yaml b/rdkit-postgresql/meta.yaml index 06ca440..b5c74b7 100644 --- a/rdkit-postgresql/meta.yaml +++ b/rdkit-postgresql/meta.yaml @@ -4,7 +4,7 @@ package: source: git_url: https://github.com/rdkit/rdkit.git - git_tag: Release_2016_09_1 + git_tag: Release_2016_09_2 patches: - Makefile.patch - adapter.cpp.patch diff --git a/rdkit-postgresql95/Makefile.patch b/rdkit-postgresql95/Makefile.patch index 6a1fb6d..8b4350c 100644 --- a/rdkit-postgresql95/Makefile.patch +++ b/rdkit-postgresql95/Makefile.patch @@ -1,8 +1,8 @@ -diff --git a/Code/PgSQL/rdkit/Makefile b/Code/PgSQL/rdkit/Makefile -index 73c1f1a..b6953eb 100644 ---- a/Code/PgSQL/rdkit/Makefile -+++ b/Code/PgSQL/rdkit/Makefile -@@ -11,28 +11,31 @@ +diff --git Code/PgSQL/rdkit/Makefile Code/PgSQL/rdkit/Makefile +index 7cce682..b6953eb 100644 +--- Code/PgSQL/rdkit/Makefile ++++ Code/PgSQL/rdkit/Makefile +@@ -11,25 +11,28 @@ # ------------------------- @@ -34,11 +34,7 @@ index 73c1f1a..b6953eb 100644 + THREADLIBS=-lboost_thread -lboost_system endif --RDKLIBS = ${AVALONLIBS} ${INCHILIBS} -lMolHash -lFMCS -lChemReactions -lChemTransforms -lFileParsers -lSmilesParse -lFingerprints -lSubgraphs -lDescriptors -lPartialCharges -lSubstructMatch -lGraphMol -lDataStructs -lDepictor -lRDGeometryLib -lRDGeneral -+RDKLIBS = ${AVALONLIBS} ${INCHILIBS} -lMolDraw2D -lMolTransforms -lMolHash -lFMCS -lChemReactions -lChemTransforms -lFileParsers -lSmilesParse -lFingerprints -lSubgraphs -lDescriptors -lPartialCharges -lSubstructMatch -lGraphMol -lEigenSolvers -lDataStructs -lDepictor -lRDGeometryLib -lRDGeneral - - ifeq ($(STATIC_LINK),0) - SHLIB_LINK += -L${RDKIT}/lib -Wl,-rpath,'${RDKIT}/lib' ${RDKLIBS} + RDKLIBS = ${AVALONLIBS} ${INCHILIBS} -lMolDraw2D -lMolTransforms -lMolHash -lFMCS -lChemReactions -lChemTransforms -lFileParsers -lSmilesParse -lFingerprints -lSubgraphs -lDescriptors -lPartialCharges -lSubstructMatch -lGraphMol -lEigenSolvers -lDataStructs -lDepictor -lRDGeometryLib -lRDGeneral @@ -40,14 +43,11 @@ else SHLIB_LINK += -L${RDKIT}/lib $(addsuffix _static,${RDKLIBS}) endif diff --git a/rdkit-postgresql95/meta.yaml b/rdkit-postgresql95/meta.yaml index fcf7892..8d7c1a1 100644 --- a/rdkit-postgresql95/meta.yaml +++ b/rdkit-postgresql95/meta.yaml @@ -4,7 +4,7 @@ package: source: git_url: https://github.com/rdkit/rdkit.git - git_tag: Release_2016_09_1 + git_tag: Release_2016_09_2 patches: - Makefile.patch - adapter.cpp.patch diff --git a/rdkit/meta.yaml b/rdkit/meta.yaml index fd565b1..c0d1ca7 100644 --- a/rdkit/meta.yaml +++ b/rdkit/meta.yaml @@ -4,7 +4,7 @@ package: source: git_url: https://github.com/rdkit/rdkit.git - git_tag: Release_2016_09_1 + git_tag: Release_2016_09_2 patches: - rdpaths.patch - rdconfig.patch [win] diff --git a/rdkit/rdconfig.patch b/rdkit/rdconfig.patch index 573d95f..c8ac25f 100644 --- a/rdkit/rdconfig.patch +++ b/rdkit/rdconfig.patch @@ -4,16 +4,16 @@ index 9b685e2..7d022d5 100755 +++ rdkit/RDConfig.py @@ -25,11 +25,11 @@ elif 'CONDA_DEFAULT_ENV' in os.environ: # we are running in a conda environ. - RDCodeDir=os.path.dirname(__file__) + RDCodeDir = os.path.dirname(__file__) splitdir = RDCodeDir.split(os.path.sep) - condaDir = splitdir[:-4] + condaDir = splitdir[:-3] - if condaDir[0]=='': + if condaDir[0] == '': condaDir[0] = os.path.sep -- condaDir += ['share','RDKit'] +- condaDir += ['share', 'RDKit'] - _share = os.path.join(*condaDir) + condaDir += ['Library','share','RDKit'] + _share = os.path.sep.join(condaDir) - RDDataDir=os.path.join(_share,'Data') - RDDocsDir=os.path.join(_share,'Docs') - RDProjDir=os.path.join(_share,'Projects') + RDDataDir = os.path.join(_share, 'Data') + RDDocsDir = os.path.join(_share, 'Docs') + RDProjDir = os.path.join(_share, 'Projects')